SCHEMBL4486648

SCHEMBL4486648

COCc1ccccc1I

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.61
TAAR1 Q96RJ0 1/20 0.46
PDK2 Q15119 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA1A P35348 1/20 0.35
PRKCG P05129 1/20 0.33
MAPT P10636 1/20 0.33
PRKCA P17252 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30986734 1.00 IDO1 (0.61) IDO1TAAR1PDK2CYP1A2CYP2D6
SCHEMBL648491 0.87 IDO1 (0.44) IDO1TAAR1PDK2MEN1ALDH1A1
SCHEMBL2065909 0.83 IDO1 (0.53) IDO1TAAR1CYP1A2CYP2D6CYP2C9
SCHEMBL18055973 0.81 IDO1 (0.40) IDO1TAAR1PDK2MEN1ALDH1A1
SCHEMBL22711438 0.81 IDO1 (0.40) IDO1TAAR1PDK2MEN1ALDH1A1
SCHEMBL3922216 0.81 IDO1 (0.40) IDO1TAAR1PDK2MEN1ALDH1A1
SCHEMBL1228231 0.80 IDO1 (0.67) IDO1TAAR1CYP1A2CYP2D6CYP2C9
SCHEMBL8459673 0.78 GABRA1 (0.42) IDO1PDK2ALDH1A1HTTNPSR1
SCHEMBL19535134 0.77 IDO1 (0.57) IDO1TAAR1CYP1A2CYP2D6CYP2C9
SCHEMBL23480864 0.76 IDO1 (0.63) IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8176049-A None JP disclosed
WO-2024073622-A2 RADIOPHARMACEUTICAL COMPOSITIONS TARGETING EPHRIN TYPE-A RECEPTOR 2 AND USES THEREOF RAYZEBIO, INC. (US) 2024-04-04 WO disclosed
WO-2023014979-A9 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-04-27 WO disclosed
WO-2022135365-A1 DISUBSTITUTED CYCLOPENTANE KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-30 WO disclosed
US-10947210-B2 Inhibitors of Hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2021-03-16 US disclosed
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 EP disclosed
US-20200255393-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2020-08-13 US disclosed
EP-3484885-B1 CARBOXY 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
WO-2019076336-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2019-04-25 WO disclosed
WO-2018011162-A1 CARBOXY 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 WO disclosed
US-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS BRANN MARK 2008-05-08 US disclosed
US-20030144285-A1 Compounds with activity on muscarinic receptors BRANN MARK (US) 2003-07-31 US disclosed
US-6528529-B1 4-Methoxy-1-(4-(2-methylphenyl)-4-oxo-1-butyl)piperidine ACADIA PHARMACEUTICALS INC. 2003-03-04 US disclosed
CN-1303376-A Compound with activity on muscarinic receptors ACADIA PHARMACEUTICAL INC (US) 2001-07-11 CN disclosed
WO-2001005763-A2 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 2001-01-25 WO disclosed
EP-1068185-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS Acadia Pharmaceuticals Inc. (US) 2001-01-17 EP disclosed
WO-1999050247-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 1999-10-07 WO disclosed
US-5945501-A Epoxy resin compositions including novel phenol novolak condensates produced from bis(methoxymethyl)biphenyls UBE INDUSTRIES, LTD. (JP) 1999-08-31 US disclosed
US-5612442-A Phenol novolak condensate and bis(methoxymethyl)biphenyl for production thereof UBE INDUSTRIES, LTD. (JP) 1997-03-18 US disclosed
JP-H08176049-A PRODUCTION OF METHOXYMETHYLIODOBENZENE UBE IND LTD 1996-07-09 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS CHRM3, CHRM2, CHRM1 IDO1 1715/4885TAAR1 92/4885PDK2 3610/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 IDO1 1715/4885TAAR1 92/4885PDK2 3610/4885
US-20200255393-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLI, POLR2E, POLR2H IDO1 1299/4885TAAR1 3584/4885PDK2 2735/4885
US-10947210-B2 Inhibitors of Hepatitis C virus polymerase POLI, POLR2E, POLR2H IDO1 1299/4885TAAR1 3584/4885PDK2 2735/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.